N,N-双(2-氯乙基)丁-1-胺
TL;DR: N,N-双(2-氯乙基)丁-1-胺 (CAS 42520-97-8) is a chemical compound with molecular formula C8H17Cl2N and molecular weight 197.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-双(2-氯乙基)丁-1-胺
N,N-bis(2-chloroethyl)butan-1-amine
Also Known As: N,N-Bis -1-butanamine, N,N-Bis(2-chloroethyl)butylamine, butylbis(2-chloroethyl)amine, TL 513, N,N-bis(2-chloroethyl)butan-1-amine
| Molecular Formula | C8H17Cl2N |
|---|---|
| Molecular Weight | 197.07 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 3.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 7 |
| Exact Mass | 197.0738 |
| Heavy Atoms | 11 |
| Complexity | 72.0 |
Chemical Identifiers
| CAS Number | 42520-97-8 |
|---|---|
| SMILES | CCCCN(CCCl)CCCl |
| InChIKey | SXPGFJZLDDFUHA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N,N-双(2-氯乙基)丁-1-胺 (CAS 42520-97-8), with molecular formula C8H17Cl2N and molecular weight 197.07 g/mol. IUPAC: N,N-bis(2-chloroethyl)butan-1-amine.
Chemical Property Profile of N,N-双(2-氯乙基)丁-1-胺
Property Insights of N,N-双(2-氯乙基)丁-1-胺
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N,N-双(2-氯乙基)丁-1-胺. With a topological polar surface area (TPSA) of 3.2 Ų, N,N-双(2-氯乙基)丁-1-胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N,N-双(2-氯乙基)-1-丁胺 has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N,N-双(2-氯乙基)-1-丁胺?
The CAS number of N,N-双(2-氯乙基)-1-丁胺 is 42520-97-8.
What is the molecular formula of N,N-双(2-氯乙基)-1-丁胺?
The molecular formula of N,N-双(2-氯乙基)-1-丁胺 is C8H17Cl2N.
What is the molecular weight of N,N-双(2-氯乙基)-1-丁胺?
The molecular weight of N,N-双(2-氯乙基)-1-丁胺 is 197.07 g/mol.
Where can I buy N,N-双(2-氯乙基)-1-丁胺?
You can request a quote for N,N-双(2-氯乙基)-1-丁胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N-双(2-氯乙基)-1-丁胺?
Yes, KEHONG BIO provides custom synthesis services for N,N-双(2-氯乙基)-1-丁胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.